2-(2-heptoxyethoxy)ethanamine

C11H25NO2 — CID 82352795

IUPAC2-(2-heptoxyethoxy)ethanamine
SMILESCCCCCCCOCCOCCN
InChIInChI=1S/C11H25NO2/c1-2-3-4-5-6-8-13-10-11-14-9-7-12/h2-12H2,1H3
InChIKeyDUHLBMWQGQTXSR-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.95
Rot. Bonds11

About 2-(2-heptoxyethoxy)ethanamine

2-(2-heptoxyethoxy)ethanamine (PubChem CID 82352795) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-(2-heptoxyethoxy)ethanamine.

Molecular Properties

Compound Name2-(2-heptoxyethoxy)ethanamine
PubChem CID82352795
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-(2-heptoxyethoxy)ethanamine
SMILESCCCCCCCOCCOCCN
InChIInChI=1S/C11H25NO2/c1-2-3-4-5-6-8-13-10-11-14-9-7-12/h2-12H2,1H3
InChIKeyDUHLBMWQGQTXSR-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-heptoxyethoxy)ethanamine?
The IUPAC name of 2-(2-heptoxyethoxy)ethanamine (CID 82352795) is 2-(2-heptoxyethoxy)ethanamine.
What is the SMILES notation for 2-(2-heptoxyethoxy)ethanamine?
The canonical SMILES for 2-(2-heptoxyethoxy)ethanamine is CCCCCCCOCCOCCN.
What is the InChIKey of 2-(2-heptoxyethoxy)ethanamine?
The InChIKey is DUHLBMWQGQTXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-2-3-4-5-6-8-13-10-11-14-9-7-12/h2-12H2,1H3.
What are the key properties of 2-(2-heptoxyethoxy)ethanamine?
2-(2-heptoxyethoxy)ethanamine has a molecular weight of 203.33 g/mol, XLogP of 1.95, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptoxyethoxy)ethanamine is sourced from PubChem (CID 82352795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).